Geometry & MOs

Info

ID:	444702
PubChem CID:	135263286
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	5.34
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC[N+](=O)[O-]

DOS

IR

Vibrations