Geometry & MOs

Info

ID:	73412
PubChem CID:	48417644
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	-8.44
Dipole, Da:	3.4
IP(EA), eV:	-9.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-propanoyl-2,3-dihydroindole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations