Geometry & MOs

Info

ID:	187340
PubChem CID:	77560865
Reduced:	ClINO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	629.367616
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	4.6
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)propoxy]-4-[4-(3-methoxypropoxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(CCl)NC(=O)O)I

DOS

IR

Vibrations