Geometry & MOs

Info

ID:	28445
PubChem CID:	827650
Reduced:	N3C22H23 (1)
Stoich.:	A3B22C23 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	80.44
Dipole, Da:	3.03
IP(EA), eV:	-8.17(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-(tert-butylamino)-1-(3-nitrophenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(C2C3=CN=CC=C3)C4=CC=C(C=C4)C

DOS

IR

Vibrations