Geometry & MOs

Info

ID:	414469
PubChem CID:	135087427
Reduced:	FO3N4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	3.9
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1(C)C)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations