Geometry & MOs

Info

ID:	428011
PubChem CID:	135165740
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-22.33
Dipole, Da:	4.63
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations