Geometry & MOs

Info

ID:	407644
PubChem CID:	135080394
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	4.05
IP(EA), eV:	-9.3(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-2-phenylethanol

Drug info:

PubChemData

Smile

C[C@]1(CCC(=O)N(C1)OC)O

DOS

IR

Vibrations