Geometry & MOs

Info

ID:	35248
PubChem CID:	7979579
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	3.69
IP(EA), eV:	-9.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations