Geometry & MOs

Info

ID:	44143
PubChem CID:	10501159
Reduced:	NSeO2C20H35 (1)
Stoich.:	ABC2D20E35 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	6.76
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxynaphthalen-1-yl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@H]([C@@H](CCC)[Se][C@H]1[C@H]2CC[C@@](C1=O)(C2(C)C)C)NC(=O)C

DOS

IR

Vibrations