Geometry & MOs

Info

ID:	348750
PubChem CID:	127273861
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	4.51
IP(EA), eV:	-9.35(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CNC(=O)C3CCCCC3

DOS

IR

Vibrations