Geometry & MOs

Info

ID:	73122
PubChem CID:	48417035
Reduced:	O3N5H11C16 (1)
Stoich.:	A3B5C11D16 (1)
Weight, g/mol:	292.077182
ΔH_f, kcal/mol:	19.28
Dipole, Da:	7.55
IP(EA), eV:	-9.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations