Geometry & MOs

Info

ID:	342024
PubChem CID:	127264737
Reduced:	F2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	5.2
IP(EA), eV:	-9.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCO)NC(=O)NCC(F)F

DOS

IR

Vibrations