Geometry & MOs

Info

ID:	281638
PubChem CID:	103914151
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	5.77
IP(EA), eV:	-9.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=CC=C(C=C1)OCC#N

DOS

IR

Vibrations