Geometry & MOs

Info

ID:	130055
PubChem CID:	51074770
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	302.116761
ΔH_f, kcal/mol:	3.74
Dipole, Da:	2.67
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC2=NOC(=C2)C3=CC=CS3

DOS

IR

Vibrations