Geometry & MOs

Info

ID:	285123
PubChem CID:	104098271
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	239.036462
ΔH_f, kcal/mol:	17.24
Dipole, Da:	4.45
IP(EA), eV:	-8.79(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1CC(C1)NCC2=CN(N=C2)CC(C)C

DOS

IR

Vibrations