Geometry & MOs

Info

ID:	14014
PubChem CID:	401505
Reduced:	BrON3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	365.11028
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	7.24
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-[(4-methyl-2-propan-2-ylcyclohexylidene)amino]urea

Drug info:

PubChemData

Smile

CC1CCC(=NNC(=O)NC2=CC=C(C=C2)Br)C(C1)C(C)C

DOS

IR

Vibrations