Geometry & MOs

Info

ID:	311509
PubChem CID:	126592982
Reduced:	BrFIO3N6C25H25 (1)
Stoich.:	ABCD3E6F25G25 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	5.98
IP(EA), eV:	-8.33(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[(5-nitropyridin-2-yl)amino]methyl]cyclopropyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)/C(=N/I)/NC2=CC(=C(C=C2)F)Br)C(=O)NC3=CC=C(C=C3)C4=CN(N=C4)CCO

DOS

IR

Vibrations