Geometry & MOs

Info

ID:	296124
PubChem CID:	117557240
Reduced:	N5C14H27 (1)
Stoich.:	A5B14C27 (1)
Weight, g/mol:	195.148396
ΔH_f, kcal/mol:	1.7
Dipole, Da:	3.89
IP(EA), eV:	-8.51(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-aminopropyl)-6-N,2-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)CCNC)NCCC(C)C

DOS

IR

Vibrations