Geometry & MOs

Info

ID:	26617
PubChem CID:	793561
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	305.246713
ΔH_f, kcal/mol:	-8.91
Dipole, Da:	5.14
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]urea

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations