Geometry & MOs

Info

ID:	425814
PubChem CID:	135128109
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	58.82
Dipole, Da:	4.05
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-methoxycyclohexa-1,5-dien-1-yl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=CC=C2)OOC)NC(=NC)/C(=C/C=C\N)/C

DOS

IR

Vibrations