Geometry & MOs

Info

ID:	419438
PubChem CID:	135108184
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-193.87
Dipole, Da:	6.55
IP(EA), eV:	-9.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(3-pyrrol-1-ylpropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)N2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations