Geometry & MOs

Info

ID:	350237
PubChem CID:	127277315
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-5.28
Dipole, Da:	3.47
IP(EA), eV:	-8.95(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropanoyl)-N-(2-methylcyclopropyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(C3=CC=CC=C3C2)C

DOS

IR

Vibrations