Geometry & MOs

Info

ID:	444343
PubChem CID:	135262113
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	265.050571
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	1.17
IP(EA), eV:	-8.13(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-8-prop-2-ynoxychromen-4-one;hydrochloride

Drug info:

PubChemData

Smile

CC1(CCC2CNCCC3=C2C1=COC3)C

DOS

IR

Vibrations