Geometry & MOs

Info

ID:	235969
PubChem CID:	92711245
Reduced:	N2F3O5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-338.55
Dipole, Da:	3.07
IP(EA), eV:	-8.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-2-[(2,4-dimethylphenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)NC3=CC=CC=C3C(F)(F)F)CC(=O)OC)OCC

DOS

IR

Vibrations