Geometry & MOs

Info

ID:	291462
PubChem CID:	112379030
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	3.86
IP(EA), eV:	-9.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-nitrophenyl)furan-2-yl]methylamino]-1-pyridin-4-ylethanol

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CN(C)CC(=O)NC(C)C(CC2=CC=CC=C2)O

DOS

IR

Vibrations