Geometry & MOs

Info

ID:	145801
PubChem CID:	53595210
Reduced:	SN6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	110.78
Dipole, Da:	4.23
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(5-nitro-2-propan-2-yloxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=NN=CN4C5CC5

DOS

IR

Vibrations