Geometry & MOs

Info

ID:	132012
PubChem CID:	51290736
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	37.42
Dipole, Da:	2.69
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methoxyphenyl)methyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC(CCSC)C2=NN=C3N2C=CC=C3

DOS

IR

Vibrations