Geometry & MOs

Info

ID:	423429
PubChem CID:	135119491
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	48.27
Dipole, Da:	0.93
IP(EA), eV:	-8.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-(4-methoxyphenyl)cyclopentyl]methylamino]-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=N1)CN2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations