Geometry & MOs

Info

ID:	367450
PubChem CID:	127324675
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	4.76
IP(EA), eV:	-9.46(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3C(CC4=CC=CC=C34)O

DOS

IR

Vibrations