Geometry & MOs

Info

ID:	322674
PubChem CID:	126670773
Reduced:	PN4O8C23H25 (1)
Stoich.:	AB4C8D23E25 (1)
Weight, g/mol:	126.090546
ΔH_f, kcal/mol:	-294.95
Dipole, Da:	1.51
IP(EA), eV:	-9.7(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yltriazol-1-amine

Drug info:

PubChemData

Smile

CC(C)C(=O)NCCNC(=O)C1=NC2=CC=CC=C2N=C1OC(=O)OCC3=CC=C(C=C3)OP(O)O

DOS

IR

Vibrations