Geometry & MOs

Info

ID:	445128
PubChem CID:	135264656
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-102.29
Dipole, Da:	2.44
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-6-yl]methyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC2C1C(=O)N(C(=N2)C)[C@@]3(CCC(=O)NC3=O)C

DOS

IR

Vibrations