Geometry & MOs

Info

ID:	172398
PubChem CID:	75504083
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	5.74
Dipole, Da:	5.8
IP(EA), eV:	-9.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxycyclohexyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CC(C2)NC3CCN(CC3)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations