Geometry & MOs

Info

ID:	28513
PubChem CID:	828028
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	33.95
Dipole, Da:	1.16
IP(EA), eV:	-9.05(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylideneamino)-N-(2-methoxyphenyl)-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](N[C@H](CC1=NO)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations