Geometry & MOs

Info

ID:	189925
PubChem CID:	77923509
Reduced:	N5O6C27H31 (1)
Stoich.:	A5B6C27D31 (1)
Weight, g/mol:	354.149204
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	4.83
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=C(C(C4C(=O)C3=C(C2C(=O)C(=C1O)C(=O)N)O)O)C5=NC=CC=N5)N(C)C

DOS

IR

Vibrations