Geometry & MOs

Info

ID:	367965
PubChem CID:	127326171
Reduced:	ON2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	6.76
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

DOS

IR

Vibrations