Geometry & MOs

Info

ID:	431552
PubChem CID:	135171640
Reduced:	O2N3C31H33 (1)
Stoich.:	A2B3C31D33 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	2.16
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1E)-buta-1,3-dienyl]-N-(2-methylpropyl)oxan-4-amine

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCC(CC1)C(=O)N2C=C(C3=CC=CC=C32)/C(=C/C4=CC=CC5=C4C=CN=C5)/C

DOS

IR

Vibrations