Geometry & MOs

Info

ID:	241224
PubChem CID:	96022119
Reduced:	NF2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	256.102334
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	2.82
IP(EA), eV:	-9.15(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methylamino]acetic acid

Drug info:

PubChemData

Smile

CC1(C[C@H]1[C@H]2C3=C(CCN2)C=C(C=C3F)F)C

DOS

IR

Vibrations