Geometry & MOs

Info

ID:	433586
PubChem CID:	135173726
Reduced:	ClO5N6H33C36 (1)
Stoich.:	AB5C6D33E36 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	8.89
IP(EA), eV:	-8.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-formyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)C(=O)NC2=CC=CC(=C2Cl)C3=C(C(=CC=C3)NC4=NC=CC5=CC(=CN=C54)CN6CC(C6)C(=O)OC)OC)C=C

DOS

IR

Vibrations