Geometry & MOs

Info

ID:	316218
PubChem CID:	126630406
Reduced:	N3H33C49 (1)
Stoich.:	A3B33C49 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	216.63
Dipole, Da:	1.8
IP(EA), eV:	-8.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(2-ethyl-3-methyl-4-oxoquinazolin-7-yl)-2,2-dimethylbut-3-enoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations