Geometry & MOs

Info

ID:	16326
PubChem CID:	464544
Reduced:	O4N5H17C21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	403.128054
ΔH_f, kcal/mol:	40.19
Dipole, Da:	7.43
IP(EA), eV:	-9.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-7-[(4-nitrophenoxy)methyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)COC5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations