Geometry & MOs

Info

ID:	302961
PubChem CID:	124489033
Reduced:	OSN6H16C18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	87.98
Dipole, Da:	6.23
IP(EA), eV:	-9.11(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C2N1C=CC=C2)NC(=O)CC3=CSC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations