Geometry & MOs

Info

ID:	59963
PubChem CID:	26512265
Reduced:	N2O4C17H23 (1)
Stoich.:	A2B4C17D23 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758209
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC(=O)NCC2=CC=CO2

DOS

IR

Vibrations