Geometry & MOs

Info

ID:	441335
PubChem CID:	135234195
Reduced:	O2S2N7C19H31 (1)
Stoich.:	A2B2C7D19E31 (1)
Weight, g/mol:	145.110279
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	3.7
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,3-dimethoxy-3-methylbut-1-en-1-amine

Drug info:

PubChemData

Smile

CC/C=C(\NC(C)[C@H](NC1=NN=C(S1)[C@H]2CCC[C@@H](C2)C3=NN=C(S3)NC)O)/OC

DOS

IR

Vibrations