Geometry & MOs

Info

ID:	445129
PubChem CID:	135264657
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	455.136032
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	4.96
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC2=CC3C(C=C2)N=C(N(C3=O)C4CCC(=O)NC4=O)C

DOS

IR

Vibrations