Geometry & MOs

Info

ID:	30419
PubChem CID:	841303
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	5.31
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC(=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])CC1

DOS

IR

Vibrations