Geometry & MOs

Info

ID:	163038
PubChem CID:	57581448
Reduced:	N2O5H24C30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	4.53
IP(EA), eV:	-9.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethoxy-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(=O)CCC(=O)NC3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5C(=O)O

DOS

IR

Vibrations