Geometry & MOs

Info

ID:	374105
PubChem CID:	131323755
Reduced:	ION2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	219.148396
ΔH_f, kcal/mol:	21.18
Dipole, Da:	4.21
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperazin-1-yl-3-propylimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CNC1=C(C=NC(=C1)C=O)I

DOS

IR

Vibrations