Geometry & MOs

Info

ID:	415268
PubChem CID:	135088260
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	5.55
IP(EA), eV:	-8.99(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CCN3C(=CC(=N3)C)C)OCC1

DOS

IR

Vibrations