Geometry & MOs

Info

ID:	192149
PubChem CID:	78233516
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	7.22
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC(C(=O)N=C2C=C1)CN(C3CC3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations