Geometry & MOs

Info

ID:	38429
PubChem CID:	8049826
Reduced:	ClO3N5C18H26 (1)
Stoich.:	AB3C5D18E26 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	7.36
IP(EA), eV:	-9.2(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S)-6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)N(C[C@@H]2COC(O2)(C)C)CC3=NN(C=C3Cl)C

DOS

IR

Vibrations