Geometry & MOs

Info

ID:	369179
PubChem CID:	127331481
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-170.04
Dipole, Da:	6.9
IP(EA), eV:	-9.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4

DOS

IR

Vibrations