Geometry & MOs

Info

ID:	440200
PubChem CID:	135230110
Reduced:	N5O8C37H43 (1)
Stoich.:	A5B8C37D43 (1)
Weight, g/mol:	159.162314
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	8.86
IP(EA), eV:	-8.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-propoxybutan-1-amine

Drug info:

PubChemData

Smile

C=C1C[C@H]2/C=C/C=C/C3=C(C=C(C=C3)OCC4=CN(C(=C)C=N4)CCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C(=O)N2C1

DOS

IR

Vibrations