Geometry & MOs

Info

ID:	336930
PubChem CID:	127255937
Reduced:	N2O5C11H16 (2)
Stoich.:	A2B5C11D16 (2)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-434.2
Dipole, Da:	6.64
IP(EA), eV:	-9.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethenyl-12-methyl-10-methylidene-1,4,7,14-tetrazatricyclo[12.2.2.24,7]icosane-6,15,18,19-tetrone

Drug info:

PubChemData

Smile

CC1CC(=C)C(CN2C(=O)CN(CCN3CC(=O)N(C1)C(=O)C3)CC2=O)C=C.C(=O)(O)O.C(=O)(O)O

DOS

IR

Vibrations