Geometry & MOs

Info

ID:	73401
PubChem CID:	48417617
Reduced:	BrON6H13C16 (1)
Stoich.:	ABC6D13E16 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	98.23
Dipole, Da:	5.42
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-phenylmethoxypropanoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)C)Br

DOS

IR

Vibrations