Geometry & MOs

Info

ID:	147896
PubChem CID:	53787555
Reduced:	O2N3C16H23 (2)
Stoich.:	A2B3C16D23 (2)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-137.38
Dipole, Da:	5.54
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[(2-methoxyphenyl)methyl]-1-phenylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CN(C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CC=CC3=CC=CC=C32)N)NC(=O)C[C@H](CCC(C)C)O

DOS

IR

Vibrations