Geometry & MOs

Info

ID:	192420
PubChem CID:	78267342
Reduced:	ClO2N7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	103.19
Dipole, Da:	12.91
IP(EA), eV:	-8.8(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N'-(1-phenylprop-1-enyl)acetohydrazide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4=CC(=C)C=CC4=N3)Cl

DOS

IR

Vibrations