Geometry & MOs

Info

ID:	131409
PubChem CID:	51201657
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	15.91
Dipole, Da:	4.75
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N(C)C(C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations