Geometry & MOs

Info

ID:	342809
PubChem CID:	127265972
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	276.133474
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	4.18
IP(EA), eV:	-8.86(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)CNCC2=CC=CC=C2OC

DOS

IR

Vibrations