Geometry & MOs

Info

ID:	171383
PubChem CID:	75369590
Reduced:	N5C18H31 (1)
Stoich.:	A5B18C31 (1)
Weight, g/mol:	286.04292
ΔH_f, kcal/mol:	20.28
Dipole, Da:	2.92
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC=N1)NCCCN2CCCC(C2)C

DOS

IR

Vibrations