Geometry & MOs

Info

ID:

49255

PubChem CID:

11532364

Reduced:

O2N4C27H32 (1)

Stoich.:

A2B4C27D32 (1)

Weight, g/mol:

444.300145

ΔHf, kcal/mol:

-34.12

Dipole, Da:

5.65

IP(EA), eV:

 -8.76(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-N-[[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H](C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)NC(=O)[C@H](CCCN)N

DOS

IR

Vibrations