Geometry & MOs

Info

ID:	415494
PubChem CID:	135088490
Reduced:	N5C19H23 (1)
Stoich.:	A5B19C23 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	83.9
Dipole, Da:	4.04
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,8S)-6-[2-(2-methoxyphenyl)acetyl]-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCCC(C2)C3=NC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations