Geometry & MOs

Info

ID:	296556
PubChem CID:	117583816
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	326.02008
ΔH_f, kcal/mol:	47.56
Dipole, Da:	6.18
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-(methylaminomethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C)C2=NC(=NC=C2)CNC)C

DOS

IR

Vibrations