Geometry & MOs

Info

ID:	172206
PubChem CID:	75479627
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	314.143056
ΔH_f, kcal/mol:	-95.72
Dipole, Da:	4.69
IP(EA), eV:	-9.11(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)NC(C2CCCO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations