Geometry & MOs

Info

ID:	155254
PubChem CID:	56323957
Reduced:	N4O5C19H26 (1)
Stoich.:	A4B5C19D26 (1)
Weight, g/mol:	437.169919
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	9.43
IP(EA), eV:	-8.73(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-nitro-1H-indazole-3-carbonyl)-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations