Geometry & MOs

Info

ID:	421615
PubChem CID:	135116303
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	351.22704
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	6.3
IP(EA), eV:	-8.57(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)N(C)C)C

DOS

IR

Vibrations