Geometry & MOs

Info

ID:	82697
PubChem CID:	49856362
Reduced:	FO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-38.4
Dipole, Da:	7.5
IP(EA), eV:	-9.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-[(4-chlorophenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC=C(C=C3)F)CN1C4=NC=C(C=N4)C(=O)O

DOS

IR

Vibrations