Geometry & MOs

Info

ID:	425812
PubChem CID:	135128105
Reduced:	N5C22H23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	98.85
Dipole, Da:	5.47
IP(EA), eV:	-8.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-1,2-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=CC=CC(=C3)C#N)NC(N=C2NC)C4CCCN=C4

DOS

IR

Vibrations