Geometry & MOs

Info

ID:	415628
PubChem CID:	135088627
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	5.61
IP(EA), eV:	-8.37(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-benzyl-4-hydroxy-N-(3-hydroxypropyl)-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O)N4CCCC4)C

DOS

IR

Vibrations