Geometry & MOs

Info

ID:	128077
PubChem CID:	51030226
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	463.221954
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	9.52
IP(EA), eV:	-9.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1,4-diazepan-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(quinolin-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CCC1=CN2C[C@H](OC2=NC1=O)COC3=CC=C(C=C3)C(C)(C)CC

DOS

IR

Vibrations