Geometry & MOs

Info

ID:	70518
PubChem CID:	48413461
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	409.284161
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	6.95
IP(EA), eV:	-8.73(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC=CO3

DOS

IR

Vibrations