Geometry & MOs

Info

ID:	195347
PubChem CID:	78676146
Reduced:	N2O5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	379.202168
ΔH_f, kcal/mol:	-157.5
Dipole, Da:	12.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.907301
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+](C)CC2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations