Geometry & MOs

Info

ID:	284318
PubChem CID:	104042916
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	3.08
IP(EA), eV:	-9.31(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methyloxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CCCC(C)C(=O)N1CCC2=CC=CC=C2C1CN

DOS

IR

Vibrations