Geometry & MOs

Info

ID:	186084
PubChem CID:	77389227
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	304.094688
ΔH_f, kcal/mol:	-120.47
Dipole, Da:	3.52
IP(EA), eV:	-10.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 4-O-methyl 2-methylidenebutanedioate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)NC(NC1=O)N2C=CC=N2

DOS

IR

Vibrations