Geometry & MOs

Info

ID:	330669
PubChem CID:	127248076
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-129.45
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2CCC(C2)(CN3CCN(CC3)C(=O)C)O

DOS

IR

Vibrations