Geometry & MOs

Info

ID:	416587
PubChem CID:	135089735
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	7.28
Dipole, Da:	6.3
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-7-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NCC2=CC(=CS2)COC3=CC=CC=C3

DOS

IR

Vibrations