Geometry & MOs

Info

ID:	206023
PubChem CID:	80190310
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	4.62
IP(EA), eV:	-8.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(3,3-dimethylpyrrolidin-1-yl)-3-nitrophenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)N2CCC(C2)(C)C)Cl)O

DOS

IR

Vibrations