Geometry & MOs

Info

ID:	416456
PubChem CID:	135089469
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	269.138894
ΔH_f, kcal/mol:	-178.45
Dipole, Da:	5.72
IP(EA), eV:	-8.6(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-pyrimidin-4-yl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN(C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)C

DOS

IR

Vibrations