Geometry & MOs

Info

ID:	300102
PubChem CID:	119526829
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	414.17102
ΔH_f, kcal/mol:	-18.08
Dipole, Da:	6.23
IP(EA), eV:	-9.27(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NCC(C2=CC=C(C=C2)C(C)C)N

DOS

IR

Vibrations