Geometry & MOs

Info

ID:	311940
PubChem CID:	126599421
Reduced:	BrN4O4C24H31 (1)
Stoich.:	AB4C4D24E31 (1)
Weight, g/mol:	139.1361
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	4.01
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-ethenyl-5-methylhex-3-en-1-amine

Drug info:

PubChemData

Smile

CCCN([C@@H](C)C1=NCC(N1)C2=NC=C(O2)C3=CC(=CC=C3)C(=O)CBr)C(=O)OC(C)(C)C

DOS

IR

Vibrations