Geometry & MOs

Info

ID:	296482
PubChem CID:	117577694
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	79.59
Dipole, Da:	2.78
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-(morpholin-2-ylmethyl)-6-N-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=CC(=NC=N2)N(C)CC#N)C

DOS

IR

Vibrations