Geometry & MOs

Info

ID:	73208
PubChem CID:	48417205
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	50.46
Dipole, Da:	6.23
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations