Geometry & MOs

Info

ID:	365141
PubChem CID:	127316925
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-11.34
Dipole, Da:	6.13
IP(EA), eV:	-8.75(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations