Geometry & MOs

Info

ID:	192153
PubChem CID:	78233909
Reduced:	ClO2N3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	4.66
IP(EA), eV:	-8.82(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-[(6-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)CN(CC3=CC=CC=C3Cl)C(=O)N4CCCC4

DOS

IR

Vibrations