Geometry & MOs

Info

ID:	176056
PubChem CID:	75989612
Reduced:	N5O9C18H25 (1)
Stoich.:	A5B9C18D25 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-336.61
Dipole, Da:	4.66
IP(EA), eV:	-10.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-4-(4-nitrophenyl)-4-pyridin-4-ylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(=O)OCC1(C(C(C(O1)N2CCC(=O)NC2=O)OC(=O)CC)OC(=O)CC)N=[N+]=[N-]

DOS

IR

Vibrations