Geometry & MOs

Info

ID:	6550
PubChem CID:	68853
Reduced:	N5C22H27 (1)
Stoich.:	A5B22C27 (1)
Weight, g/mol:	361.226646
ΔH_f, kcal/mol:	62.89
Dipole, Da:	2.64
IP(EA), eV:	-8.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CN=C4)C

DOS

IR

Vibrations