Geometry & MOs

Info

ID:	417383
PubChem CID:	135092971
Reduced:	O6N7C26H29 (1)
Stoich.:	A6B7C26D29 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	6.86
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrrolidin-1-yl-3-[(4,7,8-trimethylquinolin-2-yl)amino]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCCOC4=C(C(=O)NCC(=O)N5CCN(C2=O)CC5)N=CC=C4)N=N3

DOS

IR

Vibrations