Geometry & MOs

Info

ID:	395776
PubChem CID:	135026493
Reduced:	N2C42H49 (1)
Stoich.:	A2B42C49 (1)
Weight, g/mol:	100.088815
ΔH_f, kcal/mol:	73.5
Dipole, Da:	2.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.116115
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1,2,2-trimethylcyclopropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=C(C[C@H](C=C2)C(C)C)[NH+]3CN([C@H]([C@@H]3C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6C)C)C)C

DOS

IR

Vibrations