Geometry & MOs

Info

ID:	245318
PubChem CID:	99443290
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	447.03492
ΔH_f, kcal/mol:	18.69
Dipole, Da:	2.72
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations