Geometry & MOs

Info

ID:	59115
PubChem CID:	24771028
Reduced:	ClO3N6C19H29 (1)
Stoich.:	AB3C6D19E29 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-117.9
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(4-methoxyphenyl)pyridin-3-yl]oxymethyl]cyclopropyl]methanamine

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)Cl)NCCC(C)(C)C

DOS

IR

Vibrations