Geometry & MOs

Info

ID:	140096
PubChem CID:	52646619
Reduced:	BrNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	421.04259
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	3.69
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(S)-furan-2-yl(phenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H](C)C(=O)N[C@H](C2=CC=CC=C2)C3=CC=CO3)Br

DOS

IR

Vibrations