Geometry & MOs

Info

ID:	348384
PubChem CID:	127273449
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	2.66
IP(EA), eV:	-9.48(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations