Geometry & MOs

Info

ID:	75238
PubChem CID:	48423218
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	388.163436
ΔH_f, kcal/mol:	-99.94
Dipole, Da:	3.12
IP(EA), eV:	-8.11(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[[2-(methoxycarbonylamino)-3-phenylpropanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations