Geometry & MOs

Info

ID:	178910
PubChem CID:	76400492
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	2.27
IP(EA), eV:	-9.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-6-oxo-1,3-diazinan-2-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C=CCC(N1C(=O)CN2C(=C(C(=N2)C)C(=O)C)C)CC=C

DOS

IR

Vibrations