Geometry & MOs

Info

ID:	327895
PubChem CID:	126691256
Reduced:	FO2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	389.12949
ΔH_f, kcal/mol:	12.16
Dipole, Da:	3.77
IP(EA), eV:	-9.7(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-chloro-6-[(2S)-1-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

C1CC(C[C@H]1F)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C#N

DOS

IR

Vibrations