Geometry & MOs

Info

ID:	180431
PubChem CID:	76632054
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	358.104146
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	6.1
IP(EA), eV:	-8.87(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-3-yl-2-[7-(trifluoromethyl)-3,10a-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]ethanone

Drug info:

PubChemData

Smile

COC1C(=CC=C2C1=NC(=CC(=O)C3=CN=CC=C3)N4C2=NCC4)OCCN5CCCCC5

DOS

IR

Vibrations