Geometry & MOs

Info

ID:	356877
PubChem CID:	127292481
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	2.14
IP(EA), eV:	-8.91(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(oxan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C=CCN1CCC(CC1)NC(=O)NC2CCCOC2

DOS

IR

Vibrations