Geometry & MOs

Info

ID:	419110
PubChem CID:	135107529
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	2.96
IP(EA), eV:	-9.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)N2CCCN(CC2)C(=O)CC3=CSC=C3

DOS

IR

Vibrations