Geometry & MOs

Info

ID:	290828
PubChem CID:	111123579
Reduced:	IN3O3C17H28 (1)
Stoich.:	AB3C3D17E28 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	4.37
IP(EA), eV:	-8.6(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

Drug info:

PubChemData

Smile

COCCNC(=NCC1=C(C(=CC=C1)OC)OC2CCCC2)N.I

DOS

IR

Vibrations