Geometry & MOs

Info

ID:	444701
PubChem CID:	135263283
Reduced:	N2O4C31H36 (1)
Stoich.:	A2B4C31D36 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	6.53
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-nitroethyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)N(C=C4)CCC(=O)OC(C)(C)C)C

DOS

IR

Vibrations