Geometry & MOs

Info

ID:	419989
PubChem CID:	135110600
Reduced:	ON5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	58.37
Dipole, Da:	2.5
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-4-yl)-[4-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NC(=NC=C2)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45)C

DOS

IR

Vibrations