Geometry & MOs

Info

ID:	188019
PubChem CID:	77654138
Reduced:	FO2N5C22H34 (1)
Stoich.:	AB2C5D22E34 (1)
Weight, g/mol:	379.201968
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	7.86
IP(EA), eV:	-9.35(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[1-(7-fluoro-12-methyl-2,4-dioxo-10-oxa-1,3-diazatricyclo[7.3.1.05,13]tridecan-8-yl)pyrrolidin-3-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1C2C(CC(C1N3CCC(C3)C(C(C)(C)C#N)NC)F)C(=O)NC(=O)N2C4CC4

DOS

IR

Vibrations