Geometry & MOs

Info

ID:	428010
PubChem CID:	135165738
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	3.48
IP(EA), eV:	-8.51(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2(CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations