Geometry & MOs

Info

ID:	284426
PubChem CID:	104046506
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	6.11
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-butoxyethylamino)-2-cyclopropylacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations