Geometry & MOs

Info

ID:	423462
PubChem CID:	135119539
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	3.27
IP(EA), eV:	-8.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-cyclopropyl-4-hydroxy-N-[(4-hydroxyphenyl)methyl]-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations