Geometry & MOs

Info

ID:	204496
PubChem CID:	79972264
Reduced:	ON2S2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	265.146664
ΔH_f, kcal/mol:	-29.75
Dipole, Da:	1.44
IP(EA), eV:	-8.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropylphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N)C(C2CSCCS2)O

DOS

IR

Vibrations