Geometry & MOs

Info

ID:	331344
PubChem CID:	127248751
Reduced:	O3N6C23H32 (1)
Stoich.:	A3B6C23D32 (1)
Weight, g/mol:	413.222703
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	5.86
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCOC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)C(=O)N)N(C)C

DOS

IR

Vibrations