Geometry & MOs

Info

ID:	289078
PubChem CID:	104334519
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	6.7
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCNCC1)CNC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations