Geometry & MOs

Info

ID:	418240
PubChem CID:	135103930
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	404.222369
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	5.57
IP(EA), eV:	-9.43(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations