Geometry & MOs

Info

ID:	85226
PubChem CID:	49872608
Reduced:	N4O8C33H48 (1)
Stoich.:	A4B8C33D48 (1)
Weight, g/mol:	362.209324
ΔH_f, kcal/mol:	-369.16
Dipole, Da:	5.42
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-methylpropyl) 2-[(4-propoxyphenyl)methylidene]propanedioate

Drug info:

PubChemData

Smile

CCC(=O)NCCN1C2=C(C=C(C(=C2)C(=O)N([C@@H]3CCCN(C3)C(=O)OC(C(C)C)OC(=O)C)C(C)C)C)OC4(C1=O)CCC4

DOS

IR

Vibrations