Geometry & MOs

Info

ID:	415261
PubChem CID:	135088253
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	362.175419
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	5.74
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N[C@@]2(CCOC3([C@H]2O)CCNCC3)C

DOS

IR

Vibrations