Geometry & MOs

Info

ID:	280789
PubChem CID:	103851288
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	57.91
Dipole, Da:	2.69
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations