Geometry & MOs

Info

ID:	131341
PubChem CID:	51192944
Reduced:	O2F3N3C18H24 (1)
Stoich.:	A2B3C3D18E24 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-238.66
Dipole, Da:	4.83
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(benzotriazol-1-yl)acetyl]-4-butoxy-3-methoxybenzohydrazide

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations