Geometry & MOs

Info

ID:	363798
PubChem CID:	127313445
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	7.33
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations