Geometry & MOs

Info

ID:	252872
PubChem CID:	103114719
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-21.9
Dipole, Da:	3.21
IP(EA), eV:	-9.19(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-1-(5-methyloxolan-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=C(C=CC=C2Cl)O

DOS

IR

Vibrations