Geometry & MOs

Info

ID:	367404
PubChem CID:	127324484
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	2.1
IP(EA), eV:	-9.06(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanophenyl)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)N3CCC(CC3)O

DOS

IR

Vibrations