Geometry & MOs

Info

ID:	187747
PubChem CID:	77618728
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	413.27639
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	7.35
IP(EA), eV:	-8.32(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-amino-2-(aminomethyl)pyrrolidin-1-yl]-6-(4-aminoanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

Drug info:

PubChemData

Smile

C1CCNC(C1)CCOC2=CC=CC(=C2)C3C4CC(CCC4NN3)C(=O)N

DOS

IR

Vibrations