Geometry & MOs

Info

ID:	423833
PubChem CID:	135120402
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	377.192626
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	2.77
IP(EA), eV:	-8.61(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-oxo-4-[4-(4,4,4-trifluorobutanoyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations