Geometry & MOs

Info

ID:	416073
PubChem CID:	135089081
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-14.83
Dipole, Da:	3.03
IP(EA), eV:	-8.57(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2)CC4=CC=NC=C4

DOS

IR

Vibrations