Geometry & MOs

Info

ID:	225590
PubChem CID:	85856286
Reduced:	N2O4H26C33 (1)
Stoich.:	A2B4C26D33 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	5.01
IP(EA), eV:	-8.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-(4-methoxyphenyl)-6-phenylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC2=C(C(=C(C=C2)N3C(=O)C4=CC=CC(=C4C3=O)C5=C6C(=CC=C5)C(=O)NC6=O)C)C)C

DOS

IR

Vibrations