Geometry & MOs

Info

ID:	74750
PubChem CID:	48422400
Reduced:	N2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-130.28
Dipole, Da:	3.71
IP(EA), eV:	-9.33(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C(=O)C)OCC2CC2

DOS

IR

Vibrations