Geometry & MOs

Info

ID:	167243
PubChem CID:	74797124
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	2.31
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(furan-2-yl)-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC1C(C(NN1)C2=CC(=CC=C2)OC)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations