Geometry & MOs

Info

ID:	73105
PubChem CID:	48416999
Reduced:	O3N6H16C17 (1)
Stoich.:	A3B6C16D17 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	9.75
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[4-(2-methylpropyl)phenyl]acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations