Geometry & MOs

Info

ID:	30219
PubChem CID:	840800
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	1.11
IP(EA), eV:	-8.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NN=CC1=C(C=C(C=C1)O)O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations