Geometry & MOs

Info

ID:	423828
PubChem CID:	135120387
Reduced:	N4O6C27H32 (1)
Stoich.:	A4B6C27D32 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	5.24
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5(CCCC5)N

DOS

IR

Vibrations