Geometry & MOs

Info

ID:	439271
PubChem CID:	135229038
Reduced:	N2C27H32 (1)
Stoich.:	A2B27C32 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	40.52
Dipole, Da:	0.71
IP(EA), eV:	-7.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-hydroxypropylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)N(C3=C(N2C)C=C(C=C3)C(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations