Geometry & MOs

Info

ID:	330505
PubChem CID:	127247912
Reduced:	O3N5C16H27 (1)
Stoich.:	A3B5C16D27 (1)
Weight, g/mol:	337.21139
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	3.54
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations