Geometry & MOs

Info

ID:	73314
PubChem CID:	48417411
Reduced:	ON7H11C14 (1)
Stoich.:	AB7C11D14 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	128.11
Dipole, Da:	5.42
IP(EA), eV:	-9.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(5-phenylfuran-2-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)N2C(=C(C=N2)C#N)N)C3=CC=CC=C3

DOS

IR

Vibrations