Geometry & MOs

Info

ID:	315461
PubChem CID:	126626850
Reduced:	IN2O2C8H13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	422.200571
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	5.06
IP(EA), eV:	-9.84(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-[4-[[(1R)-4-(1,3-dimethylpyrazol-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropyl]methoxymethanol

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C(=O)I

DOS

IR

Vibrations