Geometry & MOs

Info

ID:	167378
PubChem CID:	74817967
Reduced:	N8O9C16H24 (1)
Stoich.:	A8B9C16D24 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-247.58
Dipole, Da:	1.81
IP(EA), eV:	-9.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(1-prop-2-enoxyethyl)benzene

Drug info:

PubChemData

Smile

COC1C(C(C(CO1)N=[N+]=[N-])OCOCC2C(C(C(O2)N3CCC(=O)NC3=O)O)O)N=[N+]=[N-]

DOS

IR

Vibrations