Geometry & MOs

Info

ID:	136068
PubChem CID:	51974291
Reduced:	N4C25H27 (1)
Stoich.:	A4B25C27 (1)
Weight, g/mol:	382.215747
ΔH_f, kcal/mol:	68.51
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.945129
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2,3-dimethyl-6-phenyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=[NH+]C3=C(C[C@H](CC3)C4=CC=CC=C4)C(=C12)N)CC5=CC=CC=N5)C

DOS

IR

Vibrations