Geometry & MOs

Info

ID:	234258
PubChem CID:	92298037
Reduced:	Cl2O2N3H23C33 (1)
Stoich.:	A2B2C3D23E33 (1)
Weight, g/mol:	408.169859
ΔH_f, kcal/mol:	80.43
Dipole, Da:	5.57
IP(EA), eV:	-8.4(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[(E)-2-(1-benzylindol-3-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1[C@@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)C5=CC=CC=C5Cl)/C=C/C6=CC=CC=C6

DOS

IR

Vibrations