Geometry & MOs

Info

ID:	157953
PubChem CID:	56459342
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	2.59
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations