Geometry & MOs

Info

ID:	407329
PubChem CID:	135079833
Reduced:	NSO2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	5.93
IP(EA), eV:	-9.29(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCCC=C=C2CCCC2)C

DOS

IR

Vibrations