Geometry & MOs

Info

ID:	146929
PubChem CID:	53773994
Reduced:	IN4O5C15H19 (1)
Stoich.:	AB4C5D15E19 (1)
Weight, g/mol:	311.04941
ΔH_f, kcal/mol:	-164.87
Dipole, Da:	9.43
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5-bromopyrimidin-2-yl)-methylamino]ethyl]-3-cyano-2-methylguanidine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=C2I)[C@@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations