Geometry & MOs

Info

ID:	189398
PubChem CID:	77849476
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-64.8
Dipole, Da:	5.47
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1CCCCN(C1)C(=O)C2=CC3=C(C=C2)NCC(=O)N3

DOS

IR

Vibrations