Geometry & MOs

Info

ID:	157998
PubChem CID:	56459387
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	4.55
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-acetamido-4-methylphenyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C)NC(=O)C

DOS

IR

Vibrations