Geometry & MOs

Info

ID:	445847
PubChem CID:	135269779
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	2.82
IP(EA), eV:	-9.32(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-2-N-[1-[(1S)-cyclohexa-2,4-dien-1-yl]butan-2-yl]hepta-2,4,6-triene-2,5-diamine

Drug info:

PubChemData

Smile

CC(CC1(CC(CC(C1)(C)CN)N)C)C=O

DOS

IR

Vibrations