Geometry & MOs

Info

ID:	82274
PubChem CID:	49855835
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	9.68
Dipole, Da:	4.2
IP(EA), eV:	-9.36(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylbenzoyl)-N-hydroxy-2,4,5,6-tetrahydro-1H-3-benzazocine-9-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=CC=C2C(=O)N3CCC4=C(C3)C(=CC(=C4)C(=O)NO)C#N

DOS

IR

Vibrations