Geometry & MOs

Info

ID:	192122
PubChem CID:	78232505
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	412.283826
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	9.6
IP(EA), eV:	-8.42(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CC2C=C3C=C(C=CC3=NC2=O)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations