Geometry & MOs

Info

ID:	422604
PubChem CID:	135118121
Reduced:	N3O5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-184.65
Dipole, Da:	3.83
IP(EA), eV:	-8.63(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-5-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CC2(CCN(CC2)CC3=C(C(=CC=C3)OC)OC)OCCC1=O

DOS

IR

Vibrations