Geometry & MOs

Info

ID:	287917
PubChem CID:	104298760
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	4.12
IP(EA), eV:	-9.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2CCCCC2)C#CCN

DOS

IR

Vibrations