Geometry & MOs

Info

ID:	81966
PubChem CID:	49855415
Reduced:	FO2N4H25C28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	520.258674
ΔH_f, kcal/mol:	5.62
Dipole, Da:	5.07
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-(3-methylbut-2-enyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)F)C(=O)N1C

DOS

IR

Vibrations