Geometry & MOs

Info

ID:	144690
PubChem CID:	53399841
Reduced:	O4N5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	2.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806907
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methyl-5-oxo-7-(2-phenylethenyl)-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C(=O)N(N2)N=CC3=CC=C(C=C3)OC)C(=O)NC

DOS

IR

Vibrations