Geometry & MOs

Info

ID:	272450
PubChem CID:	103743234
Reduced:	BrNOSC12H18 (1)
Stoich.:	ABCDE12F18 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	1.78
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NCC2=CSC(=C2)Br)C

DOS

IR

Vibrations