Geometry & MOs

Info

ID:	398940
PubChem CID:	135036460
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-80.02
Dipole, Da:	5.71
IP(EA), eV:	-8.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-enal

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations