Geometry & MOs

Info

ID:	445120
PubChem CID:	135264647
Reduced:	O4N5C19H25 (1)
Stoich.:	A4B5C19D25 (1)
Weight, g/mol:	429.237604
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	6.15
IP(EA), eV:	-9.25(-0.47)
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-hexylurea

Drug info:

PubChemData

Smile

CC1=NC2C=CC=C(C2C(=O)N1C3CCC(=O)NC3=O)CNC(=O)CN(C)C

DOS

IR

Vibrations