Geometry & MOs

Info

ID:	168113
PubChem CID:	74924718
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	-53.53
Dipole, Da:	7.24
IP(EA), eV:	-8.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1C(NC(NC1=O)N2C(=CC(=N2)C)NC(=O)NC3=CC=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations