Geometry & MOs

Info

ID:	349641
PubChem CID:	127275793
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	3.43
IP(EA), eV:	-9.51(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations