Geometry & MOs

Info

ID:	449745
PubChem CID:	135301112
Reduced:	NO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-169.67
Dipole, Da:	3.78
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(cyclopropylmethyl)-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)OC2=C(C=CC(=C2OC)OCC#C)C=O

DOS

IR

Vibrations