Geometry & MOs

Info

ID:	126268
PubChem CID:	50957984
Reduced:	O2N7C17H23 (1)
Stoich.:	A2B7C17D23 (1)
Weight, g/mol:	323.141596
ΔH_f, kcal/mol:	-5.24
Dipole, Da:	5.5
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(2-aminoethyl)quinazolin-4-yl]amino]ethyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2C(=NN=N2)N)C(=O)NC3CCCCC3

DOS

IR

Vibrations