Geometry & MOs

Info

ID:	75411
PubChem CID:	48423442
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	10.77
IP(EA), eV:	-9.3(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=NN=C2N1CCCCC2)OCC3CC3

DOS

IR

Vibrations