Geometry & MOs

Info

ID:	369202
PubChem CID:	127331509
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	4.97
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(cyclopropanecarbonylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCC4CCCOC4C(C)(C)C

DOS

IR

Vibrations