Geometry & MOs

Info

ID:	423860
PubChem CID:	135120517
Reduced:	O2N3C15H21 (2)
Stoich.:	A2B3C15D21 (2)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-149.75
Dipole, Da:	6.78
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(3-methyl-3-phenylbutanoyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=NC=C3)C(C)C

DOS

IR

Vibrations