Geometry & MOs

Info

ID:	126340
PubChem CID:	50960224
Reduced:	FN6H13C18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	106.02
Dipole, Da:	1.8
IP(EA), eV:	-9.52(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-2-(propan-2-ylsulfonylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C2=CN=C(N=C2)C3=CN=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations