Geometry & MOs

Info

ID:	425793
PubChem CID:	135128044
Reduced:	INH22C23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	328.168797
ΔH_f, kcal/mol:	97.6
Dipole, Da:	3.31
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohepta-1,3-dien-1-yl-N-methyl-6-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C=C2)N=C(C)C3=CC=CCC3)C(=C)I

DOS

IR

Vibrations