Geometry & MOs

Info

ID:	434082
PubChem CID:	135174239
Reduced:	BrN2O2C27H39 (1)
Stoich.:	AB2C2D27E39 (1)
Weight, g/mol:	293.30825
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	3.02
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-2-heptan-2-yl-1-methylcyclopropyl]butyl]-N-methylcyclobutan-1-amine

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)COC2=CC(=CC(=C2)CNCC3CCNC3)OCC(C)C)Br

DOS

IR

Vibrations