Geometry & MOs

Info

ID:	47377
PubChem CID:	10532046
Reduced:	O4N5C38H39 (1)
Stoich.:	A4B5C38D39 (1)
Weight, g/mol:	289.101725
ΔH_f, kcal/mol:	-80.17
Dipole, Da:	8.88
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCC(=O)N(C5=CC=CC=C54)CC(=O)N6CCN(CC6)C

DOS

IR

Vibrations