Geometry & MOs

Info

ID:	73010
PubChem CID:	48416797
Reduced:	O2N4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	43.49
Dipole, Da:	6.14
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations