Geometry & MOs

Info

ID:	229295
PubChem CID:	87567349
Reduced:	NP2O6C7H17 (1)
Stoich.:	AB2C6D7E17 (1)
Weight, g/mol:	347.224915
ΔH_f, kcal/mol:	-386.04
Dipole, Da:	2.69
IP(EA), eV:	-9.1(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-[4-[4-[(but-3-enylamino)methyl]phenyl]phenyl]-5-methylhex-4-enal

Drug info:

PubChemData

Smile

CCC(N1CCCC1)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations