Geometry & MOs

Info

ID:	158833
PubChem CID:	56479517
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	8.45
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CN=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations