Geometry & MOs

Info

ID:	255227
PubChem CID:	103130758
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	62.97
Dipole, Da:	4.88
IP(EA), eV:	-9.07(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylmethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(C=C1)Br)C2=NN(C=C2)C

DOS

IR

Vibrations