Geometry & MOs

Info

ID:	77554
PubChem CID:	49655425
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	458.115711
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	1.0
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCNC(=O)C(=O)NC2=CC(=CC=C2)O

DOS

IR

Vibrations