Geometry & MOs

Info

ID:	393527
PubChem CID:	135020900
Reduced:	O2N3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	3.21
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993085
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-hexyl-1-(4-methoxyphenyl)cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=[N+](C(=O)C2=CC(=C(N=C12)CC3=CC=CC=C3)N4CCOCC4)CCC5=CC=CC=C5

DOS

IR

Vibrations