Geometry & MOs

Info

ID:	286841
PubChem CID:	104223155
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	20.2
Dipole, Da:	6.3
IP(EA), eV:	-9.5(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(5-methyl-2-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)NCC1=CN=C(N=C1)OC2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations