Geometry & MOs

Info

ID:	73263
PubChem CID:	48417308
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	4.05
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(3,4-dimethoxyphenyl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations