Geometry & MOs

Info

ID:	271147
PubChem CID:	103645329
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	319.150761
ΔH_f, kcal/mol:	-69.53
Dipole, Da:	2.63
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[3-(trifluoromethyl)pyridin-2-yl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations