Geometry & MOs

Info

ID:	423936
PubChem CID:	135120801
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	3.4
IP(EA), eV:	-8.71(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CCNC3=NOC(=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations