Geometry & MOs

Info

ID:	40729
PubChem CID:	8144597
Reduced:	BrO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	3.07
Dipole, Da:	3.33
IP(EA), eV:	-9.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1COCCN1CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Br

DOS

IR

Vibrations