Geometry & MOs

Info

ID:	73375
PubChem CID:	48417557
Reduced:	O2N5H11C15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	341.074659
ΔH_f, kcal/mol:	86.76
Dipole, Da:	3.72
IP(EA), eV:	-9.42(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations