Geometry & MOs

Info

ID:	284838
PubChem CID:	104076118
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-4.19
Dipole, Da:	4.4
IP(EA), eV:	-8.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropylmethyl(prop-2-ynyl)amino]-4-(1-hydroxyethyl)benzonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)C#N)N2CCN(C(C2)(C)C)C)O

DOS

IR

Vibrations