Geometry & MOs

Info

ID:	378887
PubChem CID:	134224989
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	5.53
Dipole, Da:	0.54
IP(EA), eV:	-8.0(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine

Drug info:

PubChemData

Smile

CC1CC2C(C=C1)N(C3=CCC(C=C23)OC)C4C=CC=CC4C

DOS

IR

Vibrations