Geometry & MOs

Info

ID:	299764
PubChem CID:	117689244
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	5.36
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylpyridazine-3-carbonyl)benzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N=C(N3C)C4CC4)C(=O)OC

DOS

IR

Vibrations