Geometry & MOs

Info

ID:	414274
PubChem CID:	135087230
Reduced:	O6N7C39H53 (1)
Stoich.:	A6B7C39D53 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-222.49
Dipole, Da:	8.43
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C3=CC=C(C2)C=C3)[C@@H](C)CC)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations