Geometry & MOs

Info

ID:	308443
PubChem CID:	125333094
Reduced:	N4O5C23H30 (1)
Stoich.:	A4B5C23D30 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-187.19
Dipole, Da:	6.0
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethoxyphenyl)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@@H]([C@H]2C1)CNC(=O)C[C@H]3C(=O)N(C(=O)N3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations