Geometry & MOs

Info

ID:	291309
PubChem CID:	111978577
Reduced:	BrIN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	389.12151
ΔH_f, kcal/mol:	70.48
Dipole, Da:	9.27
IP(EA), eV:	-8.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-N'-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)N2CCC(C2)CC3=CN(N=C3)C.I

DOS

IR

Vibrations