Geometry & MOs

Info

ID:	421349
PubChem CID:	135115820
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	2.47
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations