Geometry & MOs

Info

ID:	373831
PubChem CID:	131320452
Reduced:	ClNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	242.04186
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	2.9
IP(EA), eV:	-10.13(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C1CC2=C(CC1=O)C=C(C=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations