Geometry & MOs

Info

ID:	336010
PubChem CID:	127255017
Reduced:	O3N5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	366.132805
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	4.48
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-oxoquinazolin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCCN5C=CN=C5

DOS

IR

Vibrations