Geometry & MOs

Info

ID:	415435
PubChem CID:	135088429
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	7.22
IP(EA), eV:	-8.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OC)OC)NC2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations