Geometry & MOs

Info

ID:	396617
PubChem CID:	135028873
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	395.224915
ΔH_f, kcal/mol:	-210.11
Dipole, Da:	2.75
IP(EA), eV:	-9.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2R,3S,4S)-4-(2-methylpropyl)-3-phenyl-3,4-dihydro-2H-chromen-2-yl]-1H-indole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C1)CN(CC2CO)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations