Geometry & MOs

Info

ID:	418602
PubChem CID:	135106114
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-49.77
Dipole, Da:	2.49
IP(EA), eV:	-8.86(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-ethyl-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=NC(=NC(=C3)NCCO)N

DOS

IR

Vibrations