Geometry & MOs

Info

ID:	418681
PubChem CID:	135106544
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-94.55
Dipole, Da:	7.99
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(4-methylphenyl)methyl]-N-(2-methylpropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4)C(=O)NC

DOS

IR

Vibrations