Geometry & MOs

Info

ID:	369171
PubChem CID:	127331472
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	4.9
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CC=C(C=C2)N3CCNC3=O

DOS

IR

Vibrations