Geometry & MOs

Info

ID:	40803
PubChem CID:	8144725
Reduced:	N2O5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	415.08954
ΔH_f, kcal/mol:	-197.69
Dipole, Da:	4.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756037
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C[NH+]1CCC(CC1)CC2=CC=CC=C2)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations