Geometry & MOs

Info

ID:	188059
PubChem CID:	77662603
Reduced:	FON2C23H25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	4.26
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-nitrophenyl)-(1-prop-2-enylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone

Drug info:

PubChemData

Smile

C=CCC1C2=CC=CC=C2C3(CCNCC3)CN1C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations