Geometry & MOs

Info

ID:	423724
PubChem CID:	135120078
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	2.56
IP(EA), eV:	-9.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=CC=C(O2)CO)CC3=CC=NC=C3

DOS

IR

Vibrations