Geometry & MOs

Info

ID:	432094
PubChem CID:	135172226
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	6.71
IP(EA), eV:	-7.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylbutane-1,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)N=C=S

DOS

IR

Vibrations