Geometry & MOs

Info

ID:	178031
PubChem CID:	76266550
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	11.94
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-[[5-(cyclohexylmethyl)pyrazolidin-3-yl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)NC2=CC(=C(C=C2)N3C=CN=C3C)F

DOS

IR

Vibrations