Geometry & MOs

Info

ID:	441208
PubChem CID:	135233618
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	351.168188
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	4.39
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-hydroxy-4-(2-methylpropanoyl)-2-oxo-3H-oxepin-7-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=C(N=C(C=C1)C2CCN(C2)C(=O)C3=NOC=C3)NC

DOS

IR

Vibrations