Geometry & MOs

Info

ID:	362842
PubChem CID:	127309671
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	1.12
IP(EA), eV:	-8.87(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NCC3CCCN3CCOC

DOS

IR

Vibrations