Geometry & MOs

Info

ID:	344089
PubChem CID:	127267265
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	338.155432
ΔH_f, kcal/mol:	3.74
Dipole, Da:	4.77
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyanomethyl)-N-(4,5-difluoro-2-methoxyphenyl)-3,5-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC#N)C)C(=O)NC2=CC=CC(=N2)C

DOS

IR

Vibrations