Geometry & MOs

Info

ID:	422962
PubChem CID:	135118692
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-22.15
Dipole, Da:	4.83
IP(EA), eV:	-9.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=NNN=C3C

DOS

IR

Vibrations