Geometry & MOs

Info

ID:	414826
PubChem CID:	135087797
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	522.222683
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	4.94
IP(EA), eV:	-9.0(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-[2-(tetrazol-1-yl)acetyl]-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N(CCO)CC2=C(NC=N2)C)C

DOS

IR

Vibrations