Geometry & MOs

Info

ID:	234737
PubChem CID:	92303409
Reduced:	F2O2N5H17C21 (1)
Stoich.:	A2B2C5D17E21 (1)
Weight, g/mol:	356.03851
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	1.78
IP(EA), eV:	-9.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(E)-2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations