Geometry & MOs

Info

ID:	70866
PubChem CID:	48413975
Reduced:	FOSN5H16C18 (1)
Stoich.:	ABCD5E16F18 (1)
Weight, g/mol:	363.115381
ΔH_f, kcal/mol:	30.82
Dipole, Da:	1.42
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

DOS

IR

Vibrations