Geometry & MOs

Info

ID:	31004
PubChem CID:	854080
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-130.16
Dipole, Da:	2.76
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC[C@](CO)(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C

DOS

IR

Vibrations