Geometry & MOs

Info

ID:	217309
PubChem CID:	85087596
Reduced:	N3O5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	359.188529
ΔH_f, kcal/mol:	-206.62
Dipole, Da:	4.42
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzhydryl-5,5a,6,7,8,9,9a,9b-octahydro-4aH-pyrano[3,2-b]indol-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCC(=O)O)N

DOS

IR

Vibrations