Geometry & MOs

Info

ID:	73403
PubChem CID:	48417624
Reduced:	O2N7C16H17 (1)
Stoich.:	A2B7C16D17 (1)
Weight, g/mol:	341.12766
ΔH_f, kcal/mol:	44.51
Dipole, Da:	13.53
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-benzylindole-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations