Geometry & MOs

Info

ID:	363762
PubChem CID:	127313402
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	335.257277
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	5.44
IP(EA), eV:	-8.62(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations