Geometry & MOs

Info

ID:	340586
PubChem CID:	127262597
Reduced:	O2N4C19H21 (1)
Stoich.:	A2B4C19D21 (1)
Weight, g/mol:	432.0797
ΔH_f, kcal/mol:	32.81
Dipole, Da:	6.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775929
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea;bromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)[N+]2=NOC(=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations