Geometry & MOs

Info

ID:	271375
PubChem CID:	103671195
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	289.063634
ΔH_f, kcal/mol:	45.4
Dipole, Da:	1.86
IP(EA), eV:	-9.17(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dichlorophenyl)methylamino]oxan-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations