Geometry & MOs

Info

ID:	192157
PubChem CID:	78234376
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	4.91
IP(EA), eV:	-8.26(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C2=NC(=O)C(C=C12)CN(CC3CCCO3)C(=O)NC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations