Geometry & MOs

Info

ID:	365731
PubChem CID:	127318456
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-4.67
Dipole, Da:	3.02
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C(=O)N2CCCC(C2)CN3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations