Geometry & MOs

Info

ID:	315516
PubChem CID:	126627299
Reduced:	N3O4C38H45 (1)
Stoich.:	A3B4C38D45 (1)
Weight, g/mol:	300.03611
ΔH_f, kcal/mol:	-65.05
Dipole, Da:	4.02
IP(EA), eV:	-8.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-2-methoxy-3-methylphenyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(C)C=C)C2=CC(=CC=C2)C3=NN4C=C(C(=C(C4=C3)N5CCC(CC5)(C)OCC=C)CC(=O)OC)C

DOS

IR

Vibrations