Geometry & MOs

Info

ID:	172175
PubChem CID:	75476356
Reduced:	ON4C7H8 (2)
Stoich.:	AB4C7D8 (2)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	116.65
Dipole, Da:	8.85
IP(EA), eV:	-9.06(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN2CCN(CC2)C3=NC=CC(=C3[N+](=O)[O-])C#N

DOS

IR

Vibrations