Geometry & MOs

Info

ID:	26024
PubChem CID:	636398
Reduced:	O7C28H40 (1)
Stoich.:	A7B28C40 (1)
Weight, g/mol:	244.097856
ΔH_f, kcal/mol:	-336.31
Dipole, Da:	4.53
IP(EA), eV:	-9.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)butan-2-ylhydrazine;hydrochloride

Drug info:

PubChemData

Smile

CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC

DOS

IR

Vibrations