Geometry & MOs

Info

ID:	439356
PubChem CID:	135229127
Reduced:	O3N6C16H22 (1)
Stoich.:	A3B6C16D22 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	2.16
IP(EA), eV:	-8.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-amino-5-(2-pyridazin-3-ylethyl)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCCC(CO)NC1=NC(=NC=C1OCC2=NC(=CC=C2)C(=O)N)N

DOS

IR

Vibrations