Geometry & MOs

Info

ID:	168110
PubChem CID:	74924586
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	2.09
Dipole, Da:	3.58
IP(EA), eV:	-9.23(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations