Geometry & MOs

Info

ID:	369337
PubChem CID:	127332355
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-152.1
Dipole, Da:	3.95
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCCC(CC1)OCCNC(=O)NCC2=C3C(=CC=C2)OCO3

DOS

IR

Vibrations