Geometry & MOs

Info

ID:	272113
PubChem CID:	103724265
Reduced:	BrNSC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	45.79
Dipole, Da:	2.99
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylcyclopropyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1(CC1)CNCC2=CSC(=C2)Br

DOS

IR

Vibrations