Geometry & MOs

Info

ID:	367392
PubChem CID:	127324424
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-95.59
Dipole, Da:	6.14
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-ethylbenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)NC3CCN(C3)C4CC4)F

DOS

IR

Vibrations