Geometry & MOs

Info

ID:	130730
PubChem CID:	51097113
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	3.93
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-methoxyisoquinoline-3-carbonyl)-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCC(CC2)NC(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations