Geometry & MOs

Info

ID:	354459
PubChem CID:	127286903
Reduced:	O2N5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	4.38
IP(EA), eV:	-8.67(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NCC3=C(ON=C3C)C)C

DOS

IR

Vibrations