Geometry & MOs

Info

ID:	39906
PubChem CID:	8143178
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	3.62
IP(EA), eV:	-9.16(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)C(C)(C)C)/C=N\NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations