Geometry & MOs

Info

ID:	218552
PubChem CID:	85089612
Reduced:	N3O7C24H37 (1)
Stoich.:	A3B7C24D37 (1)
Weight, g/mol:	479.232125
ΔH_f, kcal/mol:	-300.11
Dipole, Da:	6.9
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-anilinopyrimidin-4-yl)phenyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NCCCC(=O)O)NC(=O)C(CCCCOC1=CC=CC=C1)CC(=O)NO

DOS

IR

Vibrations