Geometry & MOs

Info

ID:	309183
PubChem CID:	126539659
Reduced:	O3C14H19 (2)
Stoich.:	A3B14C19 (2)
Weight, g/mol:	142.146999
ΔH_f, kcal/mol:	-192.76
Dipole, Da:	10.86
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(2S)-butan-2-yl]-N-methylprop-1-ene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)C4(C(O4)CC=C(C)C)C

DOS

IR

Vibrations