Geometry & MOs

Info

ID:	56214
PubChem CID:	17422617
Reduced:	BrN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	333.122575
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	6.17
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations