Geometry & MOs

Info

ID:	196296
PubChem CID:	78806613
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	368.164854
ΔH_f, kcal/mol:	32.26
Dipole, Da:	3.86
IP(EA), eV:	-8.42(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-fluoro-4-methoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations