Geometry & MOs

Info

ID:	145581
PubChem CID:	53548634
Reduced:	OSN5H13C17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	90.29
Dipole, Da:	4.85
IP(EA), eV:	-8.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxopropan-2-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC2=C(N=C3N2C=CC=C3)C4=CC=CS4

DOS

IR

Vibrations