Geometry & MOs

Info

ID:	38538
PubChem CID:	8137020
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-123.74
Dipole, Da:	6.63
IP(EA), eV:	-9.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations