Geometry & MOs

Info

ID:	428014
PubChem CID:	135165743
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	-128.15
Dipole, Da:	2.68
IP(EA), eV:	-8.64(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(CC(=O)N1CCN(CC1)C(C)C)O

DOS

IR

Vibrations