Geometry & MOs

Info

ID:	343058
PubChem CID:	127266231
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	0.88
IP(EA), eV:	-9.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=CC=N1)C(=O)NC2(CCOCC2)C3=NC(=NO3)C(C)C

DOS

IR

Vibrations