Geometry & MOs

Info

ID:	192577
PubChem CID:	78287177
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	7.44
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-oxo-4aH-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C#N)N(C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations