Geometry & MOs

Info

ID:	178873
PubChem CID:	76394514
Reduced:	O3N5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	403.180839
ΔH_f, kcal/mol:	-16.96
Dipole, Da:	1.95
IP(EA), eV:	-9.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrimidin-5-amine

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)NC3=CC=CC=C3C#N)C(=O)N(C2=O)C4CC4C5=CC=CC=C5

DOS

IR

Vibrations