Geometry & MOs

Info

ID:	137364
PubChem CID:	52198222
Reduced:	NSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	358.187915
ΔH_f, kcal/mol:	21.92
Dipole, Da:	5.32
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[2-(morpholine-4-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)C2=CSC=C2)OC

DOS

IR

Vibrations