Geometry & MOs

Info

ID:	380033
PubChem CID:	134964512
Reduced:	NC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-5.69
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753261
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-tert-butyl-1-phenylcyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2[C@H](CC[NH2+][C@H]2C1)C

DOS

IR

Vibrations