Geometry & MOs

Info

ID:	416042
PubChem CID:	135089047
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-119.93
Dipole, Da:	3.61
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)pyrimidin-5-yl]-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C=CC3=CC=CC=C32)C)C(=O)O

DOS

IR

Vibrations