Geometry & MOs

Info

ID:	293412
PubChem CID:	117387987
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	253.069198
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	2.66
IP(EA), eV:	-8.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-4-cyclopropylsulfanylphenyl)methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1Cl)C2CCCNC2)OC

DOS

IR

Vibrations