Geometry & MOs

Info

ID:	258814
PubChem CID:	103157110
Reduced:	N2O5C14H26 (1)
Stoich.:	A2B5C14D26 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-237.73
Dipole, Da:	3.62
IP(EA), eV:	-9.67(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopentyl-2-hydroxypropyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CCOC1CC(C1(C)C)(C(=O)NCC(CC(=O)O)OC)N

DOS

IR

Vibrations