Geometry & MOs

Info

ID:	359609
PubChem CID:	127298883
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	9.61
IP(EA), eV:	-9.18(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazol-4-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC4CCN(CC4)C(=O)C

DOS

IR

Vibrations