Geometry & MOs

Info

ID:	188560
PubChem CID:	77734348
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	314.144199
ΔH_f, kcal/mol:	17.32
Dipole, Da:	6.24
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC=CC2=CC=CC=C21)NCC(=O)N3CCCC3C#N

DOS

IR

Vibrations