Geometry & MOs

Info

ID:	333915
PubChem CID:	127252467
Reduced:	NOC12H17 (2)
Stoich.:	ABC12D17 (2)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	4.49
IP(EA), eV:	-8.99(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3aS,9aS)-3a,4-dimethyl-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCCC[C@H]2[C@@]1(CCN2C(=O)C3(CCCC3)C4=CC=CC=C4)C

DOS

IR

Vibrations