Geometry & MOs

Info

ID:	418902
PubChem CID:	135107096
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	10.67
Dipole, Da:	5.47
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NCC3=CC=C(O3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations