Geometry & MOs

Info

ID:	325165
PubChem CID:	126681707
Reduced:	ON5C30H35 (1)
Stoich.:	AB5C30D35 (1)
Weight, g/mol:	648.20999
ΔH_f, kcal/mol:	55.92
Dipole, Da:	3.29
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-bromo-4-phenylmethoxyphenyl)-(cyclopropylmethylamino)methyl]phenyl]-2-(3-ethylphenyl)-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CNC(C1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C

DOS

IR

Vibrations